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Title: Materials Data on HfGaAu by Materials Project

Abstract

HfAuGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Hf–Au bond lengths are 2.90 Å. All Hf–Ga bond lengths are 3.18 Å. In the second Hf site, Hf is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Hf–Au bond lengths are 3.17 Å. All Hf–Ga bond lengths are 2.89 Å. Au is bonded in a 10-coordinate geometry to six Hf, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.87 Å. All Au–Ga bond lengths are 2.58 Å. Ga is bonded in a 3-coordinate geometry to six Hf, three equivalent Au, and one Ga atom. The Ga–Ga bond length is 2.83 Å.

Publication Date:
Other Number(s):
mp-12952
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HfGaAu; Au-Ga-Hf
OSTI Identifier:
1189284
DOI:
https://doi.org/10.17188/1189284

Citation Formats

The Materials Project. Materials Data on HfGaAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189284.
The Materials Project. Materials Data on HfGaAu by Materials Project. United States. doi:https://doi.org/10.17188/1189284
The Materials Project. 2020. "Materials Data on HfGaAu by Materials Project". United States. doi:https://doi.org/10.17188/1189284. https://www.osti.gov/servlets/purl/1189284. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189284,
title = {Materials Data on HfGaAu by Materials Project},
author = {The Materials Project},
abstractNote = {HfAuGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Hf–Au bond lengths are 2.90 Å. All Hf–Ga bond lengths are 3.18 Å. In the second Hf site, Hf is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Hf–Au bond lengths are 3.17 Å. All Hf–Ga bond lengths are 2.89 Å. Au is bonded in a 10-coordinate geometry to six Hf, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.87 Å. All Au–Ga bond lengths are 2.58 Å. Ga is bonded in a 3-coordinate geometry to six Hf, three equivalent Au, and one Ga atom. The Ga–Ga bond length is 2.83 Å.},
doi = {10.17188/1189284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}